171103 CDK 0404242200 28 31 0 0 0 0 0 0 0 0999 V2000 2.0920 -3.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.5011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 -0.2497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5413 -1.3261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8034 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8269 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.5344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8269 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 -1.7443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1124 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3855 0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.6096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6419 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 1.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 2.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 1 0 0 0 4 6 1 1 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 6 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 1 0 0 0 14 24 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > CHEBI:230228 > Cholesta-5,7,9(11)-trien-3beta-ol > 2 > (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol > C27H42O > 382.632 > 382.32357 > 0 > O[C@@H]1CC=2[C@@](C=3C([C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC3)C)=CC2)(CC1)C > InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,14,18-19,21,23-24,28H,6-8,11-13,15-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1 > YQYYDLWKDGKMKI-BXAZICILSA-N $$$$